N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

C16H22N4O2S — CID 131677678

About N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 131677678) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
• PubChem CID: 131677678
• Molecular Formula: C16H22N4O2S
• Molecular Weight: 334.45 g/mol
• Exact Mass: 334.15
• IUPAC Name: N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
• SMILES: COCCNC(=O)C1CN(Cc2cccs2)Cc2ncn(C)c21
• InChI: InChI=1S/C16H22N4O2S/c1-19-11-18-14-10-20(8-12-4-3-7-23-12)9-13(15(14)19)16(21)17-5-6-22-2/h3-4,7,11,13H,5-6,8-10H2,1-2H3,(H,17,21)
• InChIKey: ZNAAVXUVIKVABZ-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.45
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?

The IUPAC name of N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (CID 131677678) is N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.

What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?

The canonical SMILES for N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is COCCNC(=O)C1CN(Cc2cccs2)Cc2ncn(C)c21.

What is the InChIKey of N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?

The InChIKey is ZNAAVXUVIKVABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-19-11-18-14-10-20(8-12-4-3-7-23-12)9-13(15(14)19)16(21)17-5-6-22-2/h3-4,7,11,13H,5-6,8-10H2,1-2H3,(H,17,21).

What are the key properties of N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?

N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 131677678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).